SCHEMBL4881938

SCHEMBL4881938

COc1nc(C(C)C)ccc1B(O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.34
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
FLT3 P36888 1/20 0.33
KCNH2 Q12809 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23244929 0.84 KCNH2 (0.39) CYP2C8CYP2C9CYP2B6CYP2C19FLT3
SCHEMBL23245068 0.84 MAPT (0.31)
SCHEMBL23268347 0.80 TSHR (0.39) CYP2C8CYP2C9CYP2B6CYP2C19FLT3
SCHEMBL194963 0.77 ENPP2 (0.36) ENPP2CYP2C19CA1CA2
SCHEMBL8738104 0.75 NOS3 (0.31) CYP2C8CYP2C9CYP2B6CYP2C19FLT3
SCHEMBL8738081 0.75 PDCD1LG2 (0.37) CYP2C8CYP2C9CYP2B6CYP2C19FLT3
SCHEMBL321488 0.75 POLB (0.52) ENPP2CA1CA2
SCHEMBL320788 0.75 APOBEC3A (0.41) ENPP2CA1CA2
SCHEMBL21238615 0.75 SLC10A2 (0.37) CA1CA2
SCHEMBL24107293 0.73 IDO1 (0.34) CYP2C8CYP2C9CYP2B6CYP2C19FLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787167-B Compounds and compositions for the treatment of parasitic diseases 诺华股份有限公司 2024-06-21 CN disclosed
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4048678-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2022-08-31 EP disclosed
CN-114787167-A Compounds and compositions for the treatment of parasitic diseases 诺华股份有限公司 2022-07-22 CN disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US disclosed
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 WO disclosed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 WO disclosed
US-20040106620-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION 2004-06-03 US disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D ENPP2 2671/4885CYP2C8 2085/4885CYP2C9 2172/4885
US-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C ENPP2 1220/4885CYP2C8 2456/4885CYP2C9 3623/4885
US-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C ENPP2 2049/4885CYP2C8 2060/4885CYP2C9 2483/4885
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN ENPP2 234/4885CYP2C8 663/4885CYP2C9 77/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A ENPP2 1944/4885CYP2C8 2813/4885CYP2C9 3630/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN ENPP2 234/4885CYP2C8 663/4885CYP2C9 77/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.